General Information of the Compound
| Compound ID |
CP0442431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(4-chlorophenyl)-3-{2-[(4-methylpiperazin-1-yl)methyl]-1-benzothien-5-yl}thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23ClN4OS2
|
||||||||||||||||||
| Molecular Weight |
507.084
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2cc3cc(ccc3s2)-n2cnc3cc(sc3c2=O)-c2ccc(Cl)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23ClN4OS2/c1-29-8-10-30(11-9-29)15-21-13-18-12-20(6-7-23(18)33-21)31-16-28-22-14-24(34-25(22)26(31)32)17-2-4-19(27)5-3-17/h2-7,12-14,16H,8-11,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYCZXPVVNCEPEF-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound